1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol

C13H13BrN2O2 — CID 117249297

IUPAC1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
SMILESOc1cccc(-c2nc(Br)c3n2CCC(O)C3)c1
InChIInChI=1S/C13H13BrN2O2/c14-12-11-7-10(18)4-5-16(11)13(15-12)8-2-1-3-9(17)6-8/h1-3,6,10,17-18H,4-5,7H2
InChIKeyROCIKKKRMONQEP-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.33
Rot. Bonds1

About 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol

1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol (PubChem CID 117249297) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
PubChem CID117249297
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
SMILESOc1cccc(-c2nc(Br)c3n2CCC(O)C3)c1
InChIInChI=1S/C13H13BrN2O2/c14-12-11-7-10(18)4-5-16(11)13(15-12)8-2-1-3-9(17)6-8/h1-3,6,10,17-18H,4-5,7H2
InChIKeyROCIKKKRMONQEP-UHFFFAOYSA-N
XLogP2.33
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249314
3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151730
3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117249982
1-bromo-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249197
1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249506
3-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117158694
7-hydroxy-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005498
[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine
CID 116984588
7-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249155
1-chloro-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249313
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249360
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 105392004

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol (CID 117249297) is 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol is Oc1cccc(-c2nc(Br)c3n2CCC(O)C3)c1.
What is the InChIKey of 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The InChIKey is ROCIKKKRMONQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-12-11-7-10(18)4-5-16(11)13(15-12)8-2-1-3-9(17)6-8/h1-3,6,10,17-18H,4-5,7H2.
What are the key properties of 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol has a molecular weight of 309.16 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117249297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).